2X-0880
TL;DR: 2X-0880 (CAS 1005240-82-3) is a chemical compound with molecular formula C22H20ClNO6 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-benzyl-6-(3-chloro-4-methoxyphenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate
Also Known As: 2X-0880, methyl 4-benzyl-6-(3-chloro-4-methoxyphenyl)-1,3-dioxohexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate, methyl 4-benzyl-6-(3-chloro-4-methoxyphenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate, 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 6-(3-chloro-4-methoxyphenyl)hexahydro-1,3-dioxo-4-(phenylmethyl)-, methyl ester, methyl 4-benzyl-6-(3-chloro-4-methoxyphenyl)-1,3-dioxo-hexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
| Molecular Formula | C22H20ClNO6 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 2.4632 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.0979 |
| Heavy Atoms | 30 |
| Complexity | 1009.94226 |
Chemical Identifiers
| CAS Number | 1005240-82-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3C(C(=O)OC3=O)C(N2)(CC4=CC=CC=C4)C(=O)OC)Cl |
Product Overview
2X-0880 (CAS 1005240-82-3), with molecular formula C22H20ClNO6 and molecular weight 429.10 g/mol. IUPAC: methyl 4-benzyl-6-(3-chloro-4-methoxyphenyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate.
Chemical Property Profile of 2X-0880
Property Insights of 2X-0880
The XLogP value of 2.4632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2X-0880. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2X-0880. Following Lipinski's Rule of Five, 2X-0880 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2X-0880?
The CAS number of 2X-0880 is 1005240-82-3.
What is the molecular formula of 2X-0880?
The molecular formula of 2X-0880 is C22H20ClNO6.
What is the molecular weight of 2X-0880?
The molecular weight of 2X-0880 is 429.10 g/mol.
Where can I buy 2X-0880?
You can request a quote for 2X-0880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2X-0880?
Yes, KEHONG BIO provides custom synthesis services for 2X-0880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.